[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-[[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]azanium

Systemtic Name: [(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-[[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]azanium Openeye Name: [(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]-[[4-oxo-3-(p-tolyl)quinazolin-2-yl]methyl]ammonium CAS Name: [(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]methyl]ammonium IUPAC Name: [(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]-[[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methyl]azanium Traditional Name: [(1R)-1-carbomethoxy-3-(methylthio)propyl]-[[4-keto-3-(p-tolyl)quinazolin-2-yl]methyl]ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH2+]C(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH2+][C@H](CCSC)C(=O)OC

InChI

InChI=1S/C22H25N3O3S/c1-15-8-10-16(11-9-15)25-20(14-23-19(12-13-29-3)22(27)28-2)24-18-7-5-4-6-17(18)21(25)26/h4-11,19,23H,12-14H2,1-3H3/p+1/t19-/m1/s1